8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine

C15H28N2O2 — CID 114947899

IUPAC8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C2OCCCC2C1(N)CN1CCCOCC1
InChIInChI=1S/C15H28N2O2/c1-14(2)13-12(5-3-9-19-13)15(14,16)11-17-6-4-8-18-10-7-17/h12-13H,3-11,16H2,1-2H3
InChIKeyMYAVTMIADPGSGN-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.24
Rot. Bonds2

About 8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 114947899) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID114947899
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C2OCCCC2C1(N)CN1CCCOCC1
InChIInChI=1S/C15H28N2O2/c1-14(2)13-12(5-3-9-19-13)15(14,16)11-17-6-4-8-18-10-7-17/h12-13H,3-11,16H2,1-2H3
InChIKeyMYAVTMIADPGSGN-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

8,8-Dimethyl-7-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947344
7-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947717
8,8-Dimethyl-7-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947733
8,8-Dimethyl-7-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947735
8,8-Dimethyl-7-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948111
7-[[2,2-Difluoroethyl(methyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948361
8-(Azepan-1-yl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 79677357
6-[(3-Methoxy-4-methylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 102963327
7-[(3-Methoxy-4-methylpiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 102963329
6-[(3-Methoxypiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 102963662
7-[(3-Methoxypiperidin-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 102963664
N'-[(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994235

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine (CID 114947899) is 8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C2OCCCC2C1(N)CN1CCCOCC1.
What is the InChIKey of 8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is MYAVTMIADPGSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2)13-12(5-3-9-19-13)15(14,16)11-17-6-4-8-18-10-7-17/h12-13H,3-11,16H2,1-2H3.
What are the key properties of 8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 268.40 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-7-(1,4-oxazepan-4-ylmethyl)-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 114947899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).